1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid

C10H15N5O4 — CID 62053728

IUPAC1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)nnn1C(C)C(=O)NC(N)=O
InChIInChI=1S/C10H15N5O4/c1-3-4-6-7(9(17)18)13-14-15(6)5(2)8(16)12-10(11)19/h5H,3-4H2,1-2H3,(H,17,18)(H3,11,12,16,19)
InChIKeyDBCFVUOQWSNQHM-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.32
Rot. Bonds5

About 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid

1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid (PubChem CID 62053728) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid
PubChem CID62053728
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)nnn1C(C)C(=O)NC(N)=O
InChIInChI=1S/C10H15N5O4/c1-3-4-6-7(9(17)18)13-14-15(6)5(2)8(16)12-10(11)19/h5H,3-4H2,1-2H3,(H,17,18)(H3,11,12,16,19)
InChIKeyDBCFVUOQWSNQHM-UHFFFAOYSA-N
XLogP-0.32
TPSA140.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(methylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid
CID 55030098
1-[1-oxo-1-(propylamino)propan-2-yl]-5-propyltriazole-4-carboxylic acid
CID 62053727
1-[1-(butylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid
CID 62053896
5-(2-aminoethyl)-1-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxylic acid
CID 103119141
5-(2-aminoethyl)-1-[1-oxo-1-(pentylamino)propan-2-yl]triazole-4-carboxylic acid
CID 103118965
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylic acid
CID 62054754
5-(2-aminoethyl)-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 103119450
5-ethyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 55029871
5-(methoxymethyl)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 102643239
1-[1-(tert-butylamino)-1-oxopropan-2-yl]-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 102645639
methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylate
CID 103113726
2-methylpropyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylate
CID 103113096

Frequently Asked Questions

What is the IUPAC name of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid?
The IUPAC name of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid (CID 62053728) is 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid is CCCc1c(C(=O)O)nnn1C(C)C(=O)NC(N)=O.
What is the InChIKey of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid?
The InChIKey is DBCFVUOQWSNQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-3-4-6-7(9(17)18)13-14-15(6)5(2)8(16)12-10(11)19/h5H,3-4H2,1-2H3,(H,17,18)(H3,11,12,16,19).
What are the key properties of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid?
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid is sourced from PubChem (CID 62053728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).